RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0022047 | |
|---|---|---|
| RefMet name | Octaethylene glycol | |
| Systematic name | 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 370.220285 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
| Formula | C16H34O9 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 56585 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2 | |
| InChIKey | GLZWNFNQMJAZGY-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | C(COCCOCCOCCOCCOCCOCCOCCO)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Organic oxygen compounds | |
| Main Class | Ethers | |
| Sub Class | Polyethylene glycols | |
| Distribution of Octaethylene glycol in NMDR studies | ||
| Species | Plot Species distribution | |
| Sample source | Plot Sample source(tissue) distribution | |
| Platform | Platform (MS/NMR) used for detection | |
| Chromatography | Chromatography methods used for detection | |
| Studies | NMDR Studies reporting Octaethylene glycol | |
| External Links | ||
| Pubchem CID | 78798 | |
| ChEBI ID | 44794 | |
| HMDB ID | HMDB0094680 | |
| EPA CompTox | DTXCID8032338 | |
| Spectral data for Octaethylene glycol standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
